2,3-difluoro-N-[1-(4-methoxyphenyl)ethyl]benzamide

C16H15F2NO2 — CID 62865993

IUPAC2,3-difluoro-N-[1-(4-methoxyphenyl)ethyl]benzamide
SMILESCOc1ccc(C(C)NC(=O)c2cccc(F)c2F)cc1
InChIInChI=1S/C16H15F2NO2/c1-10(11-6-8-12(21-2)9-7-11)19-16(20)13-4-3-5-14(17)15(13)18/h3-10H,1-2H3,(H,19,20)
InChIKeyXGPFRLZDNMFNPL-UHFFFAOYSA-N
MW291.30 g/mol
LogP3.46
Rot. Bonds4

About 2,3-difluoro-N-[1-(4-methoxyphenyl)ethyl]benzamide

2,3-difluoro-N-[1-(4-methoxyphenyl)ethyl]benzamide (PubChem CID 62865993) has the molecular formula C16H15F2NO2 and a molecular weight of 291.30 g/mol. Its IUPAC name is 2,3-difluoro-N-[1-(4-methoxyphenyl)ethyl]benzamide.

Molecular Properties

Compound Name2,3-difluoro-N-[1-(4-methoxyphenyl)ethyl]benzamide
PubChem CID62865993
Molecular FormulaC16H15F2NO2
Molecular Weight291.30 g/mol
Exact Mass291.11
IUPAC Name2,3-difluoro-N-[1-(4-methoxyphenyl)ethyl]benzamide
SMILESCOc1ccc(C(C)NC(=O)c2cccc(F)c2F)cc1
InChIInChI=1S/C16H15F2NO2/c1-10(11-6-8-12(21-2)9-7-11)19-16(20)13-4-3-5-14(17)15(13)18/h3-10H,1-2H3,(H,19,20)
InChIKeyXGPFRLZDNMFNPL-UHFFFAOYSA-N
XLogP3.46
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.30
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1R)-1-(4-methoxyphenyl)ethyl]-2-methylsulfanylbenzamide
CID 92683618
2-chloro-N-[(1S)-1-(4-methoxyphenyl)ethyl]benzamide
CID 976730
2,4-difluoro-N-[(1S)-1-(4-methoxyphenyl)ethyl]benzamide
CID 28560292
N-[(1R)-1-(4-methoxyphenyl)ethyl]-2-(trifluoromethyl)benzamide
CID 28560281
2-bromo-N-[(1S)-1-(4-methoxyphenyl)ethyl]benzamide
CID 962592
2-iodo-N-[1-(4-methoxyphenyl)ethyl]benzamide
CID 3389695
2,3-difluoro-N-[1-(1H-pyrazol-4-yl)ethyl]benzamide
CID 103856738
N-[(1R)-1-(4-methoxyphenyl)ethyl]-2-(methylamino)benzamide
CID 81368855
3-bromo-2-chloro-N-[1-(4-methoxyphenyl)ethyl]benzamide
CID 103985509
6-fluoro-N-[1-(4-methoxyphenyl)ethyl]pyridine-2-carboxamide
CID 115497979
2-fluoro-N-[(1S)-1-(4-methoxyphenyl)-2-methylpropyl]benzamide
CID 9048819
2-methoxy-N-[1-(4-methoxyphenyl)ethyl]pyridine-3-carboxamide
CID 84580740

Frequently Asked Questions

What is the IUPAC name of 2,3-difluoro-N-[1-(4-methoxyphenyl)ethyl]benzamide?
The IUPAC name of 2,3-difluoro-N-[1-(4-methoxyphenyl)ethyl]benzamide (CID 62865993) is 2,3-difluoro-N-[1-(4-methoxyphenyl)ethyl]benzamide.
What is the SMILES notation for 2,3-difluoro-N-[1-(4-methoxyphenyl)ethyl]benzamide?
The canonical SMILES for 2,3-difluoro-N-[1-(4-methoxyphenyl)ethyl]benzamide is COc1ccc(C(C)NC(=O)c2cccc(F)c2F)cc1.
What is the InChIKey of 2,3-difluoro-N-[1-(4-methoxyphenyl)ethyl]benzamide?
The InChIKey is XGPFRLZDNMFNPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F2NO2/c1-10(11-6-8-12(21-2)9-7-11)19-16(20)13-4-3-5-14(17)15(13)18/h3-10H,1-2H3,(H,19,20).
What are the key properties of 2,3-difluoro-N-[1-(4-methoxyphenyl)ethyl]benzamide?
2,3-difluoro-N-[1-(4-methoxyphenyl)ethyl]benzamide has a molecular weight of 291.30 g/mol, XLogP of 3.46, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-difluoro-N-[1-(4-methoxyphenyl)ethyl]benzamide is sourced from PubChem (CID 62865993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).